[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol

C15H16F3N3O — CID 117152265

IUPAC[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2c(Cc3cccc(C(F)(F)F)c3)nnc21
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)12-5-1-3-10(7-12)8-13-19-20-14-11(9-22)4-2-6-21(13)14/h1,3,5,7,11,22H,2,4,6,8-9H2
InChIKeyQJMYKWFKZBHUAX-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.76
Rot. Bonds3

About [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol

[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (PubChem CID 117152265) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
PubChem CID117152265
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2c(Cc3cccc(C(F)(F)F)c3)nnc21
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)12-5-1-3-10(7-12)8-13-19-20-14-11(9-22)4-2-6-21(13)14/h1,3,5,7,11,22H,2,4,6,8-9H2
InChIKeyQJMYKWFKZBHUAX-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol with MolForge

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Related Compounds

3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117152920
7-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151554
9-ethyl-4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydroquinolizine-1-carboxylic acid
CID 129080105
3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117150243
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
CID 65171795
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117145514
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The IUPAC name of [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (CID 117152265) is [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.
What is the SMILES notation for [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The canonical SMILES for [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is OCC1CCCn2c(Cc3cccc(C(F)(F)F)c3)nnc21.
What is the InChIKey of [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The InChIKey is QJMYKWFKZBHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)12-5-1-3-10(7-12)8-13-19-20-14-11(9-22)4-2-6-21(13)14/h1,3,5,7,11,22H,2,4,6,8-9H2.
What are the key properties of [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol has a molecular weight of 311.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is sourced from PubChem (CID 117152265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).